1.02010-04-08 22:10:31 UTC2018-05-29 01:02:56 UTCFDB0130883'-Hydroxy-T2-triolMycotoxin production by Fusarium heterosporum3'-Hydroxy-T2-triolC20H30O8398.4474398.19406793610',11'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl 3-hydroxy-3-methylbutanoate10',11'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl 3-hydroxy-3-methylbutanoate79-01-6CC1=CC2OC3C(O)C(O)C(C)(C33CO3)C2(CO)CC1OC(=O)CC(C)(C)OInChI=1S/C20H30O8/c1-10-5-12-19(8-21,6-11(10)27-13(22)7-17(2,3)25)18(4)15(24)14(23)16(28-12)20(18)9-26-20/h5,11-12,14-16,21,23-25H,6-9H2,1-4H3FVUXHXRZJMFQJL-UHFFFAOYSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.OligosaccharidesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugatesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsAcetalsAnthraquinonesAryl ketonesHydrocarbon derivativesO-glycosyl compoundsOrganic oxidesOxacyclic compoundsOxanesPhenolic glycosidesPolyolsPrimary alcoholsSecondary alcoholsVinylogous acids1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid9,10-anthraquinoneAcetalAlcoholAnthraceneAnthraquinoneAromatic heteropolycyclic compoundAryl ketoneBenzenoidGlycosyl compoundHydrocarbon derivativeKetoneO-glycosyl compoundOligosaccharideOrganic oxideOrganoheterocyclic compoundOxacycleOxanePhenolic glycosidePolyolPrimary alcoholSecondary alcoholVinylogous acidlogp-0.34logs-2.04solubility3.64e+00 g/llogp-1.2pka_strongest_acidic12.97pka_strongest_basic-2.7iupac10',11'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl 3-hydroxy-3-methylbutanoateaverage_mass398.4474mono_mass398.194067936smilesCC1=CC2OC3C(O)C(O)C(C)(C33CO3)C2(CO)CC1OC(=O)CC(C)(C)OformulaC20H30O8inchiInChI=1S/C20H30O8/c1-10-5-12-19(8-21,6-11(10)27-13(22)7-17(2,3)25)18(4)15(24)14(23)16(28-12)20(18)9-26-20/h5,11-12,14-16,21,23-25H,6-9H2,1-4H3inchikeyFVUXHXRZJMFQJL-UHFFFAOYSA-Npolar_surface_area128.98refractivity96.92polarizability40.83rotatable_bond_count5acceptor_count7donor_count4physiological_charge0formal_charge0Specdb::CMs11848Specdb::CMs43937Specdb::CMs163689Specdb::NmrOneD126698Specdb::NmrOneD126699Specdb::NmrOneD126700Specdb::NmrOneD126701Specdb::NmrOneD126702Specdb::NmrOneD126703Specdb::NmrOneD126704Specdb::NmrOneD126705Specdb::NmrOneD126706Specdb::NmrOneD126707Specdb::NmrOneD126708Specdb::NmrOneD126709Specdb::NmrOneD126710Specdb::NmrOneD126711Specdb::NmrOneD126712Specdb::NmrOneD126713Specdb::NmrOneD126714Specdb::NmrOneD126715Specdb::NmrOneD126716Specdb::NmrOneD126717Specdb::MsMs74433Specdb::MsMs74434Specdb::MsMs74435Specdb::MsMs133818Specdb::MsMs133819Specdb::MsMs133820Specdb::MsMs2740231Specdb::MsMs2740232Specdb::MsMs2740233Specdb::MsMs2939232Specdb::MsMs2939233Specdb::MsMs2939234HMDB34575